AD54246
1352318-29-6 | 2-(3-Chloro-5-fluorophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD54246
ChemicalName
2-(3-Chloro-5-fluorophenyl)benzonitrile
CasNumber
1352318-29-6
MolecularFormula
C13H7ClFN
MolecularWeight
231.6528
MdlNumber
MFCD20529500
Smiles
N#Cc1ccccc1c1cc(F)cc(c1)Cl
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
4
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CatalogNumber: AD54246
ChemicalName: 2-(3-Chloro-5-fluorophenyl)benzonitrile
CasNumber: 1352318-29-6
MolecularFormula: C13H7ClFN
MolecularWeight: 231.6528
MdlNumber: MFCD20529500
Smiles: N#Cc1ccccc1c1cc(F)cc(c1)Cl
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AD54246
ChemicalName:
2-(3-Chloro-5-fluorophenyl)benzonitrile
CasNumber:
1352318-29-6
MolecularFormula:
C13H7ClFN
MolecularWeight:
231.6528
MdlNumber:
MFCD20529500
Smiles:
N#Cc1ccccc1c1cc(F)cc(c1)Cl
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4
CatalogNumber: AD54247
ChemicalName: 2-Bromo-4-nitro-1-propoxybenzene
CasNumber: 1352318-25-2
MolecularFormula: C9H10BrNO3
MolecularWeight: 260.0846
MdlNumber: MFCD20529436
Smiles: CCCOc1ccc(cc1Br)[N+](=O)[O-]
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AD54247
ChemicalName:
2-Bromo-4-nitro-1-propoxybenzene
CasNumber:
1352318-25-2
MolecularFormula:
C9H10BrNO3
MolecularWeight:
260.0846
MdlNumber:
MFCD20529436
Smiles:
CCCOc1ccc(cc1Br)[N+](=O)[O-]
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: AD54248
ChemicalName: N-(4-Bromopyridin-2-yl)formamide
CasNumber: 1352318-23-0
MolecularFormula: C6H5BrN2O
MolecularWeight: 201.0207
MdlNumber: MFCD20491450
Smiles: Brc1cc(NC=O)ncc1
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AD54248
ChemicalName:
N-(4-Bromopyridin-2-yl)formamide
CasNumber:
1352318-23-0
MolecularFormula:
C6H5BrN2O
MolecularWeight:
201.0207
MdlNumber:
MFCD20491450
Smiles:
Brc1cc(NC=O)ncc1
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(c1cc2ccccc2cc1OC)OC
Complexity: 228
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(c1cc2ccccc2cc1OC)OC
Complexity:
228
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8